CAS 3779-29-1 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 3779-29-1, Diethyl cyclobutane-1,1-dicarboxylate, 1,1-cyclobutanedicarboxylic acid, diethyl ester, Cyclobutane-1,1-dicarboxylic acid diethyl ester, 1,1-diethyl cyclobutane-1,1-dicarboxylate, S7bah6z7an
Molecular Formula
C10H16O4
Molecular Weight
200.23  g/mol
InChI Key
JPNJEJSZSMXWSV-UHFFFAOYSA-N
FDA UNII
S7BAH6Z7AN

CAS 3779-29-1
1 2D Structure

CAS 3779-29-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
diethyl cyclobutane-1,1-dicarboxylate
2.1.2 InChI
InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3
2.1.3 InChI Key
JPNJEJSZSMXWSV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1(CCC1)C(=O)OCC
2.2 Other Identifiers
2.2.1 UNII
S7BAH6Z7AN
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3779-29-1

2. Diethyl Cyclobutane-1,1-dicarboxylate

3. 1,1-cyclobutanedicarboxylic Acid, Diethyl Ester

4. Cyclobutane-1,1-dicarboxylic Acid Diethyl Ester

5. 1,1-diethyl Cyclobutane-1,1-dicarboxylate

6. S7bah6z7an

7. 1,1-cyclobutanedicarboxylic Acid Diethyl Ester

8. Nsc-9017

9. 1,1-cyclobutanedicarboxylic Acid, 1,1-diethyl Ester

10. Mfcd00019261

11. 1,1-dicarboethoxycyclobutane

12. Nsc 9017

13. Einecs 223-239-4

14. Diethyl-1,1-cyclobutanedicarboxylate

15. Ai3-05631

16. Unii-s7bah6z7an

17. Schembl713102

18. Diethyl Cyclobutanedicarboxylate

19. Dtxsid2063189

20. Zinc57573

21. Nsc9017

22. Hms1577c01

23. Act03328

24. Bbl100175

25. Stk328110

26. Akos000120487

27. Ab89710

28. Gs-3371

29. 2,2-diethylcyclobutane-1,1-dicarboxylate

30. Ac-19426

31. Sy036809

32. Db-016139

33. Diethyl 1,1-cyclobutanedicarboxylate, 95%

34. Am20070611

35. Cs-0017981

36. Ft-0606077

37. En300-20256

38. A823876

39. J-802188

40. W-106512

41. Q63409128

42. Diethyl Cyclobutane-1,1-dicarboxylate, >=98.0% (gc)

43. F0001-1084

44. 1,1-dicarboethoxycyclobutane/diethyl 1,1-cyclobutanedicarboxylate

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 200.23 g/mol
Molecular Formula C10H16O4
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass200.10485899 g/mol
Monoisotopic Mass200.10485899 g/mol
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty